Jeffrey F. Lowrie
Journal of Cheminformatics · 2010
A researcher in the Science corpus: 2 papers; trusts 0 researchers and is trusted by 4 researchers here, as inferred from the citation graph.
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Papers from Jeffrey F. Lowrie's perspective
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- Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
- Protein data bank
- Efficient estimation of free energy differences from Monte Carlo data
- Virtual Computational Chemistry Laboratory – Design and Description
- PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
- Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization.
- The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities (Expert Opinion on Drug Discovery)
- The Protein Data Bank.
- Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations (Journal of Chemical Information and Modeling)
- OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. (Journal of Chemical Theory and Computation)